PDBsum entry 4dkr

Viral protein/inhibitor

PDB id: 4dkr

Contents

Protein chains

339 a.a.

Ligands

NAG ×22

EPE ×2

0LJ ×2

Waters ×443

PDB id:

4dkr

Name:

Viral protein/inhibitor

Title:

Crystal structure of clade a/e 93th057 HIV-1 gp120 core in complex with aws-i-169

Structure:

HIV-1 gp120 core. Chain: a, c. Engineered: yes

Source:

Human immunodeficiency virus type 1. HIV-1. Organism_taxid: 11686. Strain: clade a/e 93th057. Gene: HIV-1 env. Expressed in: homo sapiens. Expression_system_taxid: 9606. Expression_system_cell_line: hex293f.

Resolution:

1.80Å R-factor: 0.191 R-free: 0.209

Authors:

Y.D.Kwon,J.M.Lalonde,D.M.Jones,A.W.Sun,J.R.Courter,T.Soeta, T.Kobayashi,A.M.Princiotto,X.Wu,J.Mascola,A.Schon,E.Freire, J.Sodroski,N.Madani,A.B.Smith Iii,P.D.Kwong

Key ref:

J.M.LaLonde et al. (2012). Structure-based design, synthesis, and characterization of dual hotspot small-molecule HIV-1 entry inhibitors. J Med Chem, 55, 4382-4396. PubMed id: 22497421

Date:

03-Feb-12 Release date: 02-May-12

Protein chains

Q0ED31  (Q0ED31_HV1) -  Envelope glycoprotein gp160 from Human immunodeficiency virus type 1

Seq: 857 a.a.

Struc: 339 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

J Med Chem 55:4382-4396 (2012)

PubMed id: 22497421

Structure-based design, synthesis, and characterization of dual hotspot small-molecule HIV-1 entry inhibitors.

J.M.LaLonde, Y.D.Kwon, D.M.Jones, A.W.Sun, J.R.Courter, T.Soeta, T.Kobayashi, A.M.Princiotto, X.Wu, A.Schön, E.Freire, P.D.Kwong, J.R.Mascola, J.Sodroski, N.Madani, A.B.Smith.

ABSTRACT

No abstract given.